5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one

C12H14BrFO — CID 64720945

IUPAC5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFO/c1-8(5-9(2)15)6-10-7-11(14)3-4-12(10)13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUILOEOUPXYDPLB-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.75
Rot. Bonds4

About 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one

5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one (PubChem CID 64720945) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
PubChem CID64720945
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFO/c1-8(5-9(2)15)6-10-7-11(14)3-4-12(10)13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUILOEOUPXYDPLB-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
CID 83921892
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
CID 130820076
4-(2,5-difluorophenyl)-3-methylbutanoic acid
CID 58950420
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
CID 104875993

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one (CID 64720945) is 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1cc(F)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one?
The InChIKey is UILOEOUPXYDPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-8(5-9(2)15)6-10-7-11(14)3-4-12(10)13/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one?
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one has a molecular weight of 273.14 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 64720945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).